Pseudospectral correlation methods on distributed memory parallel architectures

Todd J. Martinez; Emily A. Carter

doi:10.1016/0009-2614(95)00654-M

Pseudospectral correlation methods on distributed memory parallel architectures

Todd J. Martinez
, Emily A. Carter

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

We describe an efficient implementation of the pseudospectral multi-reference single- and double-excitation configuration interaction method on a distributed memory parallel architecture. Near-linear speedups are achieved up to 16 processors for a single-reference test case, demonstrating that pseudospectral methods are uniquely suited to parallel processing.

Original language	English (US)
Pages (from-to)	490-496
Number of pages	7
Journal	Chemical Physics Letters
Volume	241
Issue number	5-6
DOIs	https://doi.org/10.1016/0009-2614(95)00654-M
State	Published - Aug 4 1995
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(95)00654-M

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title = "Pseudospectral correlation methods on distributed memory parallel architectures",

abstract = "We describe an efficient implementation of the pseudospectral multi-reference single- and double-excitation configuration interaction method on a distributed memory parallel architecture. Near-linear speedups are achieved up to 16 processors for a single-reference test case, demonstrating that pseudospectral methods are uniquely suited to parallel processing.",

author = "Martinez, \{Todd J.\} and Carter, \{Emily A.\}",

year = "1995",

month = aug,

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doi = "10.1016/0009-2614(95)00654-M",

language = "English (US)",

volume = "241",

pages = "490--496",

journal = "Chemical Physics Letters",

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TY - JOUR

T1 - Pseudospectral correlation methods on distributed memory parallel architectures

AU - Martinez, Todd J.

AU - Carter, Emily A.

PY - 1995/8/4

Y1 - 1995/8/4

N2 - We describe an efficient implementation of the pseudospectral multi-reference single- and double-excitation configuration interaction method on a distributed memory parallel architecture. Near-linear speedups are achieved up to 16 processors for a single-reference test case, demonstrating that pseudospectral methods are uniquely suited to parallel processing.

AB - We describe an efficient implementation of the pseudospectral multi-reference single- and double-excitation configuration interaction method on a distributed memory parallel architecture. Near-linear speedups are achieved up to 16 processors for a single-reference test case, demonstrating that pseudospectral methods are uniquely suited to parallel processing.

UR - https://www.scopus.com/pages/publications/5244259274

UR - https://www.scopus.com/pages/publications/5244259274#tab=citedBy

U2 - 10.1016/0009-2614(95)00654-M

DO - 10.1016/0009-2614(95)00654-M

M3 - Article

AN - SCOPUS:5244259274

SN - 0009-2614

VL - 241

SP - 490

EP - 496

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

Pseudospectral correlation methods on distributed memory parallel architectures

Abstract

All Science Journal Classification (ASJC) codes

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